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CHEBI:160 - D-erythro-isocitric acid

ChEBI IDCHEBI:160
ChEBI NameD-erythro-isocitric acid
Stars
ASCII NameD-erythro-isocitric acid
DefinitionThe D-erythro-stereoisomer of isocitric acid.
Last Modified29 January 2015
DownloadsMolfile
FormulaC6H8O7
Net Charge0
Average Mass192.123
Monoisotopic Mass192.02700
SMILESO=C(O)C[C@H](C(=O)O)[C@H](O)C(=O)O
InChIInChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4-/m0/s1
InChIKeyODBLHEXUDAPZAU-OKKQSCSOSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
fundamental metabolite  Any metabolite produced by all living cells.
ChEBI Ontology
Outgoing Relation(s)
D-erythro-isocitric acid (CHEBI:160) is a isocitric acid (CHEBI:30887)
D-erythro-isocitric acid (CHEBI:160) is conjugate acid of D-erythro-isocitrate(3−) (CHEBI:15563)
D-erythro-isocitric acid (CHEBI:160) is enantiomer of L-erythro-isocitric acid (CHEBI:43291)
Incoming Relation(s)
D-erythro-isocitrate(3−) (CHEBI:15563) is conjugate base of D-erythro-isocitric acid (CHEBI:160)
L-erythro-isocitric acid (CHEBI:43291) is enantiomer of D-erythro-isocitric acid (CHEBI:160)
IUPAC Names 
(1S,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid
3-carboxy-2,3-dideoxy-D-erythro-pentaric acid
Synonym  Source
D-erythro-Isocitric acidKEGG COMPOUND
Manual XrefsDatabases
C04617KEGG COMPOUND
Registry NumbersSources
Reaxys:1727946Reaxys
CAS:30810-51-6KEGG COMPOUND